SCHEMBL8434636

SCHEMBL8434636

CC(C)c1ccccc1OC(C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
NISCH Q9Y2I1 1/20 0.42
LMNA P02545 2/20 0.41
LPAR1 Q92633 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
PPARA Q07869 3/20 0.40
PPARG P37231 2/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8935700 0.85 KMT2A (0.66) KMT2AL3MBTL1MEN1ADRA2AADRA2B
SCHEMBL8935695 0.85 KMT2A (0.66) KMT2AL3MBTL1MEN1ADRA2AADRA2B
SCHEMBL6449650 0.81 KMT2A (0.47) KMT2AL3MBTL1MEN1ADRA2AADRA2B
SCHEMBL5861162 0.80 SMN1; SMN2 (0.46) KMT2AL3MBTL1MEN1LMNAPPARA
Hydrogen Peroxide SCHEMBL8008634 0.77 KDM4E (0.58) KMT2AL3MBTL1MEN1LMNAGABRA1
SCHEMBL9423878 0.77 KMT2A (0.46) KMT2AL3MBTL1MEN1ADRA2BLMNA
SCHEMBL628528 0.77 KMT2A (0.70) KMT2AL3MBTL1MEN1LMNACYP1A2
SCHEMBL9979219 0.77 TSHR (0.49) KMT2AL3MBTL1MEN1LMNALPAR1
SCHEMBL9424144 0.76 L3MBTL1 (0.61) KMT2AL3MBTL1LMNACYP2C19
SCHEMBL4293432 0.76 GABRA1 (0.46) KMT2AL3MBTL1MEN1ADRA2AADRA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6005103-A TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS WARNER-LAMBERT COMPANY (US) 1999-12-21 US disclosed
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed